2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide

C19H22FN3O — CID 120602484

IUPAC2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
SMILESCC1CC(NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCN1
InChIInChI=1S/C19H22FN3O/c1-11-8-14(6-7-21-11)22-19(24)16-10-18(12-2-3-12)23-17-5-4-13(20)9-15(16)17/h4-5,9-12,14,21H,2-3,6-8H2,1H3,(H,22,24)
InChIKeyBPGPGQIBADQSSM-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.12
Rot. Bonds3

About 2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide

2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide (PubChem CID 120602484) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
PubChem CID120602484
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
SMILESCC1CC(NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCN1
InChIInChI=1S/C19H22FN3O/c1-11-8-14(6-7-21-11)22-19(24)16-10-18(12-2-3-12)23-17-5-4-13(20)9-15(16)17/h4-5,9-12,14,21H,2-3,6-8H2,1H3,(H,22,24)
InChIKeyBPGPGQIBADQSSM-UHFFFAOYSA-N
XLogP3.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride
CID 120598132
2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide
CID 127367740
2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
CID 95782044
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783
N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 120598205
(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561347
2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
CID 111470297

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide (CID 120602484) is 2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide is CC1CC(NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCN1.
What is the InChIKey of 2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide?
The InChIKey is BPGPGQIBADQSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-11-8-14(6-7-21-11)22-19(24)16-10-18(12-2-3-12)23-17-5-4-13(20)9-15(16)17/h4-5,9-12,14,21H,2-3,6-8H2,1H3,(H,22,24).
What are the key properties of 2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide?
2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 120602484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).